ChemSpider 2D Image | 2-Methyl-2-propanyl (2R,4S)-4-methoxy-2-{[3-(methylsulfinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate | C16H30N2O5S

2-Methyl-2-propanyl (2R,4S)-4-methoxy-2-{[3-(methylsulfinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate

  • Molecular FormulaC16H30N2O5S
  • Average mass362.485 Da
  • Monoisotopic mass362.187531 Da
  • ChemSpider ID65097605

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,4S)-4-Méthoxy-2-{[3-(méthylsulfinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Pyrrolidinecarboxylic acid, 4-methoxy-2-[[[3-(methylsulfinyl)butyl]amino]carbonyl]-, 1,1-dimethylethyl ester, (2R,4S)- [ACD/Index Name]
2-Methyl-2-propanyl (2R,4S)-4-methoxy-2-{[3-(methylsulfinyl)butyl]carbamoyl}-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(2R,4S)-4-methoxy-2-{[3-(methylsulfinyl)butyl]carbamoyl}-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 572.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.2±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 94.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: -1.49
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.76
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.76
Polar Surface Area: 104 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 306.3±5.0 cm3

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